SCHEMBL30346506

SCHEMBL30346506

CCC1(O)CCC(Nc2ncc3c(-c4ccc5nnccc5c4)c[nH]c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.39
▸ CLK2 P49760 3/20 0.39
▸ CLK3 P49761 2/20 0.39
▸ BRD4 O60885 2/20 0.36
▸ DYRK1B Q9Y463 3/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CDK7 P50613 3/20 0.33
▸ CCNK O75909 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ MNAT1 P51948 2/20 0.33
▸ CDK12 Q9NYV4 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25522524 1.00 DYRK1A (0.39) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL30346895 0.91 DYRK1A (0.40) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL25522523 0.91 DYRK1A (0.40) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL25522522 0.91 DYRK1A (0.40) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL30349099 0.88 BRD4 (0.40) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL25522648 0.88 BRD4 (0.40) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL25522509 0.85 DYRK1A (0.41) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL30348780 0.85 DYRK1A (0.41) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL25522508 0.85 DYRK1A (0.41) DYRK1ACLK2CLK3BRD4DYRK1B
SCHEMBL30347828 0.84 DYRK1A (0.39) DYRK1ACLK2CLK3BRD4DYRK1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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